4-ethylidenehept-5-en-2-yl(trimethyl)azanium

C12H24N+ — CID 123609434

IUPAC4-ethylidenehept-5-en-2-yl(trimethyl)azanium
SMILESCC=CC(=CC)CC(C)[N+](C)(C)C
InChIInChI=1S/C12H24N/c1-7-9-12(8-2)10-11(3)13(4,5)6/h7-9,11H,10H2,1-6H3/q+1
InChIKeyMCUBZEQSPPECKC-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.99
Rot. Bonds4

About 4-ethylidenehept-5-en-2-yl(trimethyl)azanium

4-ethylidenehept-5-en-2-yl(trimethyl)azanium (PubChem CID 123609434) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is 4-ethylidenehept-5-en-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name4-ethylidenehept-5-en-2-yl(trimethyl)azanium
PubChem CID123609434
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Name4-ethylidenehept-5-en-2-yl(trimethyl)azanium
SMILESCC=CC(=CC)CC(C)[N+](C)(C)C
InChIInChI=1S/C12H24N/c1-7-9-12(8-2)10-11(3)13(4,5)6/h7-9,11H,10H2,1-6H3/q+1
InChIKeyMCUBZEQSPPECKC-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidenehept-5-en-2-yl(trimethyl)azanium?
The IUPAC name of 4-ethylidenehept-5-en-2-yl(trimethyl)azanium (CID 123609434) is 4-ethylidenehept-5-en-2-yl(trimethyl)azanium.
What is the SMILES notation for 4-ethylidenehept-5-en-2-yl(trimethyl)azanium?
The canonical SMILES for 4-ethylidenehept-5-en-2-yl(trimethyl)azanium is CC=CC(=CC)CC(C)[N+](C)(C)C.
What is the InChIKey of 4-ethylidenehept-5-en-2-yl(trimethyl)azanium?
The InChIKey is MCUBZEQSPPECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N/c1-7-9-12(8-2)10-11(3)13(4,5)6/h7-9,11H,10H2,1-6H3/q+1.
What are the key properties of 4-ethylidenehept-5-en-2-yl(trimethyl)azanium?
4-ethylidenehept-5-en-2-yl(trimethyl)azanium has a molecular weight of 182.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenehept-5-en-2-yl(trimethyl)azanium is sourced from PubChem (CID 123609434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).